SCHEMBL20088132

SCHEMBL20088132

Cc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.82
▸ ALDH1A1 P00352 4/20 0.68
▸ USP2 O75604 2/20 0.68
▸ L3MBTL1 Q9Y468 3/20 0.66
▸ MAPT P10636 4/20 0.62
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ MAPK1 P28482 1/20 0.60
▸ GAA P10253 2/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15551249 0.93 RAB9A (0.91) RAB9AALDH1A1USP2L3MBTL1MAPT
SCHEMBL14142894 0.88 ALDH1A1 (0.87) RAB9AALDH1A1USP2L3MBTL1MAPT
SCHEMBL13401886 0.87 ALDH1A1 (0.65) RAB9AALDH1A1USP2L3MBTL1MAPT
SCHEMBL19334435 0.87 RAB9A (0.73) RAB9AALDH1A1L3MBTL1MAPTMEN1
SCHEMBL13401903 0.87 TAAR1 (0.72) RAB9AALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL625181 0.85 ALDH1A1 (0.84) RAB9AALDH1A1L3MBTL1MAPTMEN1
SCHEMBL14135605 0.81 ALDH1A1 (0.71) RAB9AALDH1A1USP2L3MBTL1MAPT
SCHEMBL15679869 0.81 PLAAT3 (0.73) RAB9AL3MBTL1KMT2ASMN1; SMN2
SCHEMBL8628832 0.80 ALDH1A1 (0.90) RAB9AALDH1A1USP2L3MBTL1MAPT
SCHEMBL13401887 0.80 HTT (0.68) RAB9AALDH1A1USP2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180110746-A1 SMALL MOLECULE INHIBITORS OF TLR2 SIGNALING UNIVERSITY OF MARYLAND, BALTIMORE 2018-04-26 — — US disclosed
US-20180110746-A1 SMALL MOLECULE INHIBITORS OF TLR2 SIGNALING UNIVERSITY OF MARYLAND, BALTIMORE 2018-04-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180110746-A1 SMALL MOLECULE INHIBITORS OF TLR2 SIGNALING TLR2, TLR1, TLR6 RAB9A 4467/4885ALDH1A1 2824/4885USP2 3084/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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